1-[5-(4-tert-butylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one

Systemtic Name: 1-[5-(4-tert-butylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[5-(4-tert-butylphenyl)-3-isobutoxy-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one CAS Name: 1-[5-(4-tert-butylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-2-ethyl-1-hexanone IUPAC Name: 1-[5-(4-tert-butylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-2-ethylhexan-1-one Traditional Name: 1-[5-(4-tert-butylphenyl)-3-isobutoxy-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one Formula: C24H37N3O2 MolecularWeight: 399.56948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1C(=NC(=N1)OCC(C)C)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCC(CC)C(=O)N1C(=NC(=N1)OCC(C)C)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C24H37N3O2/c1-8-10-11-18(9-2)22(28)27-21(25-23(26-27)29-16-17(3)4)19-12-14-20(15-13-19)24(5,6)7/h12-15,17-18H,8-11,16H2,1-7H3